methyl 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoate

Systemtic Name: methyl 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoate Openeye Name: methyl 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoate CAS Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoate Traditional Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]propionic acid methyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCCC(=O)OC)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCCC(=O)OC)C

InChI

InChI=1S/C23H27NO3S/c1-23(2)14-17(15-28-12-11-22(25)27-4)19-13-16(9-10-20(19)24-23)18-7-5-6-8-21(18)26-3/h5-10,13-14,24H,11-12,15H2,1-4H3